4,4,9,9-tetrapropyldodecane

C24H50 — CID 140610407

IUPAC4,4,9,9-tetrapropyldodecane
SMILESCCCC(CCC)(CCC)CCCCC(CCC)(CCC)CCC
InChIInChI=1S/C24H50/c1-7-15-23(16-8-2,17-9-3)21-13-14-22-24(18-10-4,19-11-5)20-12-6/h7-22H2,1-6H3
InChIKeyXIXITCHIZIJIKI-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.32
Rot. Bonds17

About 4,4,9,9-tetrapropyldodecane

4,4,9,9-tetrapropyldodecane (PubChem CID 140610407) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 4,4,9,9-tetrapropyldodecane.

Molecular Properties

Compound Name4,4,9,9-tetrapropyldodecane
PubChem CID140610407
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name4,4,9,9-tetrapropyldodecane
SMILESCCCC(CCC)(CCC)CCCCC(CCC)(CCC)CCC
InChIInChI=1S/C24H50/c1-7-15-23(16-8-2,17-9-3)21-13-14-22-24(18-10-4,19-11-5)20-12-6/h7-22H2,1-6H3
InChIKeyXIXITCHIZIJIKI-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,6-dipentylundecane
CID 19690398
1,1,1-trifluoro-11,11-dipropyltetradecane
CID 160800982
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
10,10-dibutylicosane
CID 151498539
1,1,1,21,21,21-hexamethoxy-11,11-dipropylhenicosane
CID 151648189
8,8-dipropylundecane-1,1-diol
CID 156789046
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
4,4-bis(bromomethyl)undecane
CID 79453128
4,4-dipentylnonan-1-amine
CID 88632324

Frequently Asked Questions

What is the IUPAC name of 4,4,9,9-tetrapropyldodecane?
The IUPAC name of 4,4,9,9-tetrapropyldodecane (CID 140610407) is 4,4,9,9-tetrapropyldodecane.
What is the SMILES notation for 4,4,9,9-tetrapropyldodecane?
The canonical SMILES for 4,4,9,9-tetrapropyldodecane is CCCC(CCC)(CCC)CCCCC(CCC)(CCC)CCC.
What is the InChIKey of 4,4,9,9-tetrapropyldodecane?
The InChIKey is XIXITCHIZIJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-7-15-23(16-8-2,17-9-3)21-13-14-22-24(18-10-4,19-11-5)20-12-6/h7-22H2,1-6H3.
What are the key properties of 4,4,9,9-tetrapropyldodecane?
4,4,9,9-tetrapropyldodecane has a molecular weight of 338.66 g/mol, XLogP of 9.32, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,9,9-tetrapropyldodecane is sourced from PubChem (CID 140610407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).